[2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone

C13H16FNO2 — CID 141289544

IUPAC[2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CO)c1F)N1CCCCC1
InChIInChI=1S/C13H16FNO2/c14-12-10(9-16)5-4-6-11(12)13(17)15-7-2-1-3-8-15/h4-6,16H,1-3,7-9H2
InChIKeyJRVGNPSHMYSFQJ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.94
Rot. Bonds2

About [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone

[2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 141289544) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
PubChem CID141289544
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CO)c1F)N1CCCCC1
InChIInChI=1S/C13H16FNO2/c14-12-10(9-16)5-4-6-11(12)13(17)15-7-2-1-3-8-15/h4-6,16H,1-3,7-9H2
InChIKeyJRVGNPSHMYSFQJ-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone (CID 141289544) is [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(CO)c1F)N1CCCCC1.
What is the InChIKey of [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is JRVGNPSHMYSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-10(9-16)5-4-6-11(12)13(17)15-7-2-1-3-8-15/h4-6,16H,1-3,7-9H2.
What are the key properties of [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
[2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 237.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 141289544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).